SCHEMBL1705944

SCHEMBL1705944

O=S(=O)(c1c(Cl)ccc(NC2CCSC2)c1O)N1CCNCC1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CXCR2 P25025 16/20 0.53
▸ USP2 O75604 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ PDK1 Q15118 1/20 0.37
▸ PDK2 Q15119 1/20 0.37
▸ PDK3 Q15120 1/20 0.37
▸ PDK4 Q16654 1/20 0.37
▸ CNR1 P21554 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13897455 0.78 CXCR2 (0.63) CXCR2USP2MAPTPDK1PDK2
SCHEMBL1705853 0.76 CCR6 (0.52) CXCR2
SCHEMBL1705931 0.76 CXCR2 (0.62) CXCR2
SCHEMBL6137160 0.75 CXCR2 (0.66) CXCR2
SCHEMBL1707011 0.71 CCR6 (0.48) CXCR2
SCHEMBL2767447 0.71 CXCR2 (0.54) CXCR2USP2MAPTPDK1PDK2
SCHEMBL1707138 0.70 CCR6 (0.59) —
SCHEMBL6564144 0.70 CXCR2 (1.00) CXCR2
SCHEMBL1706016 0.69 CCR6 (0.46) CXCR2
SCHEMBL17293774 0.69 CXCR2 (0.68) CXCR2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8183281-B2 CXC-chemokine receptor ligands NOVARTIS AG (CH) 2012-05-22 — — US claimed
EP-2155670-B1 ANTI -INFLAMMATORY SUBSTITUTED CYCLOBUTENEDIONE COMPOUNDS NOVARTIS AG (CH) 2012-04-18 — — EP claimed
US-20100125071-A1 CXC-CHEMOKINE RECEPTOR LIGANDS NOVARTIS AG (CH) 2010-05-20 — — US claimed
EP-2155670-A1 ANTI -INFLAMMATORY SUBSTITUTED CYCLOBUTENEDIONE COMPOUNDS Novartis Ag (CH) 2010-02-24 — — EP claimed
WO-2008148790-A1 ANTI -INFLAMMATORY SUBSTITUTED CYCLOBUTENEDIONE COMPOUNDS NOVARTIS AG (CH) 2008-12-11 — — WO claimed
US-8183281-B2 CXC-chemokine receptor ligands NOVARTIS AG (CH) 2012-05-22 — — US disclosed
US-8183281-B2 CXC-chemokine receptor ligands NOVARTIS AG (CH) 2012-05-22 — — US disclosed
US-8183281-B2 CXC-chemokine receptor ligands NOVARTIS AG (CH) 2012-05-22 — — US disclosed
EP-2155670-B1 ANTI -INFLAMMATORY SUBSTITUTED CYCLOBUTENEDIONE COMPOUNDS NOVARTIS AG (CH) 2012-04-18 — — EP disclosed
EP-2155670-B1 ANTI -INFLAMMATORY SUBSTITUTED CYCLOBUTENEDIONE COMPOUNDS NOVARTIS AG (CH) 2012-04-18 — — EP disclosed
US-20100125071-A1 CXC-CHEMOKINE RECEPTOR LIGANDS NOVARTIS AG (CH) 2010-05-20 — — US disclosed
US-20100125071-A1 CXC-CHEMOKINE RECEPTOR LIGANDS NOVARTIS AG (CH) 2010-05-20 — — US disclosed
US-20100125071-A1 CXC-CHEMOKINE RECEPTOR LIGANDS NOVARTIS AG (CH) 2010-05-20 — — US disclosed
EP-2155670-A1 ANTI -INFLAMMATORY SUBSTITUTED CYCLOBUTENEDIONE COMPOUNDS Novartis Ag (CH) 2010-02-24 — — EP disclosed
WO-2008148790-A1 ANTI -INFLAMMATORY SUBSTITUTED CYCLOBUTENEDIONE COMPOUNDS NOVARTIS AG (CH) 2008-12-11 — — WO disclosed
WO-2008148790-A1 ANTI -INFLAMMATORY SUBSTITUTED CYCLOBUTENEDIONE COMPOUNDS NOVARTIS AG (CH) 2008-12-11 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100125071-A1 CXC-CHEMOKINE RECEPTOR LIGANDS CXCR2, CXCR1, CX3CR1 CXCR2 1/4885USP2 2883/4885MAPT 4750/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

Send feedback